Dear all, I'm trying to generate a cube file format for the 3D charge density of a system, but I have a problem to increase the number of grids in the supercell. For instance espresso always give me a cube file with the grid of 45X45X45, even when I change the nx, ny, and nz values. Could any one please help me fix the problem?
The attachments are my scf and pp input files. Thanks in advances. Best, Reza. ----------------------------------------------------------- Reza Vatan Electrical Engineering Department Arizona State University.
h2-ps.in
Description: Binary data
h2-scf.in
Description: Binary data
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
